异丁香油酚
化合物
异丁香油酚（英語：Isoeugenol），别名异丁子香酚或异丁香酚，是一种有机化合物，化学式为C10H12O2，与丁香油酚区别在于碳碳双键位置不同，存在于依兰等植物提炼的精油中。
| 异丁香油酚[1] | |
|---|---|
| |
| IUPAC名 2-Methoxy-4-(prop-1-en-1-yl)phenol (trans isomer shown) | |
| 别名 | 4-Hydroxy-3-methoxy-1-propenylbenzene 2-Methoxy-4-propenylphenol 4-Propenylguaiacol |
| 识别 | |
| CAS号 | 97-54-1 
|
| PubChem | 7338 |
| ChemSpider | 21106129 (trans) |
| SMILES |
|
| InChI |
|
| InChIKey | BJIOGJUNALELMI-ONEGZZNKBO |
| EINECS | 202-590-7 |
| ChEBI | 18224 |
| KEGG | C10469 |
| 性质 | |
| 化学式 | C10H12O2 |
| 摩尔质量 | 164.2 g·mol−1 |
| 外观 | Oily liquid |
| 密度 | 1.080 |
| 熔点 | -10 °C（263 K） |
| 沸点 | 266 °C（539 K） |
| 溶解性（水） | 810 mg/L [2] |
| 溶解性 | Soluble in most organic solvents[3] |
| 蒸氣壓 | 0.0135 mmHg[4] |
| 药理学 | |
| ATCvet代码 | QN01AX94（QN01） |
| 若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。 | |
它在2023年被列入IARC第2B类致癌物质。[5]
参考文献
- ^ The Merck Index, 12th edition, Merck & Co, Whitehouse Station, New Jersey, USA, 1996.
- ^ HERA; HERA Risk Assessment of Isoeugenol (Draft). Human and Environmental Risk Assessment on ingredients of Household Cleaning Products. Isoeugenol (CAS 97-54-1). Available from, as of June 23, 2012: http://www.heraproject.com/
- ^ Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 710
- ^ NIST; NIST Chemistry WebBook. Phenol, 2-methoxy-4-(1-propenyl)- (97-54-1). NIST Standard Reference Database No. 69, June 2005 Release. Washington, DC: US Sec Commerce. Available from, as of June 25, 2012: http://webbook.nist.gov
- ^ IARC MONOGRAPHS ON THE IDENTIFICATION OF CARCINOGENIC HAZARDS TO HUMANS. WHO. 2023-12-01 [2023-12-06]. （原始内容存档于2021-04-05）.